Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Diethylamine SCHEMBL6888907 | 0.87 | ALDH1A1 (0.43) | ALDH1A1TSHR | |
| Dimethylamine SCHEMBL6888559 | 0.84 | ALDH1A1 (0.41) | ALDH1A1TET2 | |
| Dimethylamine SCHEMBL6889290 | 0.76 | ALDH1A1 (0.46) | ALDH1A1TSHR | |
| SCHEMBL40660 | 0.72 | ALDH1A1 (0.61) | ALDH1A1TSHRTET2 | |
| SCHEMBL6657389 | 0.71 | ALDH1A1 (0.48) | ALDH1A1TSHR | |
| Ammonia Solution, Strong SCHEMBL8970989 | 0.70 | ALDH1A1 (0.58) | ALDH1A1TSHRTET2 | |
| Diethylamine SCHEMBL6887134 | 0.69 | ALDH1A1 (0.40) | ALDH1A1TSHR | |
| Trichloroacetic Acid SCHEMBL5875342 | 0.68 | TSHR (0.56) | ALDH1A1TSHR | |
| SCHEMBL6850521 | 0.67 | ALDH1A1 (0.61) | ALDH1A1TSHRTET2 | |
| SCHEMBL11707371 | 0.67 | LMNA (0.39) | ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6706911-B1 | REACTING N-SUBSTITUTED 3-AMINOACRYLIC ESTERS WITH HALOALKYLCARBOXYLIC ANHYDRIDES IN PRESENCE OF BASE; PYRAZOLE-4-CARBOXYLIC ACID CHEMICAL INTERMEDIATES; HALOACYLATION | BAYER AKTIENGESELLSCHAFT (DE) | 2004-03-16 | — | — | US | disclosed |